==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 21-MAY-04 1TD3 . COMPND 2 MOLECULE: HEAD DECORATION PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE P21; . AUTHOR C.CHANG,P.FORRER,D.OTT,A.WLODAWER,A.PLUECKTHUN . 309 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13801.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 55.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 17.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 24 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 6 3 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 12 A V 0 0 178 0, 0.0 2,-0.3 0, 0.0 75,-0.0 0.000 360.0 360.0 360.0 159.0 41.2 66.0 -3.2 2 13 A R - 0 0 137 1,-0.1 3,-0.1 71,-0.0 100,-0.1 -0.924 360.0-169.8-155.7 178.5 39.5 62.7 -2.4 3 14 A I S S+ 0 0 39 -2,-0.3 70,-1.9 68,-0.1 2,-0.9 0.377 88.9 53.3-142.8 -41.9 37.2 60.8 -0.1 4 15 A F + 0 0 84 68,-0.2 2,-2.4 1,-0.1 68,-0.2 -0.698 58.9 179.1-106.4 77.9 37.7 57.2 -1.3 5 16 A A + 0 0 22 -2,-0.9 2,-0.3 95,-0.2 67,-0.2 -0.060 65.1 65.0 -68.5 39.9 41.5 56.7 -1.1 6 17 A G - 0 0 28 -2,-2.4 4,-0.1 65,-0.2 65,-0.1 -0.997 68.4-143.0-162.8 158.5 40.7 53.2 -2.3 7 18 A N S S+ 0 0 148 -2,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.727 70.7 106.8 -92.9 -29.6 39.4 51.0 -5.1 8 19 A D S S- 0 0 11 1,-0.1 63,-0.6 62,-0.0 -2,-0.1 -0.378 88.8 -96.6 -56.8 120.4 37.7 48.4 -2.9 9 20 A P - 0 0 77 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.048 30.6-135.7 -44.3 129.2 34.0 49.2 -3.4 10 21 A A - 0 0 40 -4,-0.1 2,-0.3 -3,-0.1 60,-0.2 -0.791 25.9-175.5 -91.1 123.6 32.2 51.4 -0.9 11 22 A H - 0 0 48 -2,-0.5 57,-2.5 58,-0.2 58,-0.9 -0.858 10.1-144.4-118.2 156.4 28.8 50.2 0.1 12 23 A T E -A 67 0A 69 -2,-0.3 2,-0.3 55,-0.3 55,-0.2 -0.700 14.3-178.4-116.5 170.3 26.2 51.8 2.4 13 24 A A E -A 66 0A 9 53,-2.2 53,-3.0 -2,-0.2 2,-0.3 -0.961 19.9-124.5-158.1 165.2 23.7 50.6 4.9 14 25 A T E +A 65 0A 63 293,-0.4 293,-0.3 -2,-0.3 2,-0.3 -0.785 29.6 162.9-115.9 162.6 21.0 52.1 7.2 15 26 A G E -A 64 0A 5 49,-1.5 49,-2.0 -2,-0.3 2,-0.2 -0.969 45.8 -73.5-170.3 160.9 20.5 51.8 11.0 16 27 A S E -A 63 0A 12 278,-0.4 22,-2.4 -2,-0.3 2,-0.3 -0.442 50.4-140.7 -66.1 130.0 18.7 53.3 14.0 17 28 A S B -b 38 0A 3 45,-2.8 22,-0.2 20,-0.2 -1,-0.1 -0.726 25.4-178.3 -96.1 144.7 20.3 56.6 14.9 18 29 A G + 0 0 31 20,-3.1 2,-0.5 -2,-0.3 21,-0.1 0.127 45.9 123.2-121.3 14.1 20.9 57.8 18.5 19 30 A I + 0 0 11 19,-0.3 42,-0.1 1,-0.2 40,-0.1 -0.682 31.3 174.8 -82.4 125.9 22.4 61.2 17.4 20 31 A S + 0 0 100 -2,-0.5 -1,-0.2 40,-0.1 3,-0.1 0.770 60.1 54.6-100.9 -35.1 20.5 64.1 19.0 21 32 A S S S- 0 0 71 1,-0.1 2,-0.2 39,-0.1 36,-0.1 -0.454 102.2 -76.1 -95.7 171.4 22.6 67.1 17.9 22 33 A P - 0 0 97 0, 0.0 36,-0.2 0, 0.0 -1,-0.1 -0.478 50.1-177.1 -70.0 137.6 23.6 68.1 14.4 23 34 A T B -F 57 0B 10 34,-1.5 34,-3.0 -2,-0.2 4,-0.1 -0.998 19.0-128.5-138.2 130.4 26.5 66.0 12.9 24 35 A P > - 0 0 64 0, 0.0 3,-0.5 0, 0.0 29,-0.2 -0.286 34.9 -88.0 -74.9 161.2 28.2 66.5 9.5 25 36 A A T 3 S+ 0 0 26 1,-0.2 29,-0.2 29,-0.1 30,-0.1 -0.198 108.6 40.5 -63.4 160.5 28.8 63.8 6.9 26 37 A L T 3 S+ 0 0 31 27,-3.2 52,-2.6 1,-0.2 -1,-0.2 0.740 78.1 142.9 69.6 26.6 32.0 61.7 7.1 27 38 A T < - 0 0 6 -3,-0.5 26,-2.2 50,-0.2 -1,-0.2 -0.853 55.2-115.9 -98.6 127.5 31.8 61.4 10.9 28 39 A P E -C 52 0A 1 0, 0.0 13,-2.4 0, 0.0 2,-0.3 -0.337 34.4-149.2 -62.4 144.5 32.9 58.0 12.3 29 40 A L E -CD 51 40A 0 22,-3.1 21,-2.2 11,-0.3 22,-0.9 -0.855 17.0-177.7-120.6 154.3 30.1 56.1 14.0 30 41 A M E - D 0 39A 27 9,-3.3 9,-2.9 -2,-0.3 2,-0.3 -0.908 31.9-101.5-140.1 164.9 29.9 53.6 16.9 31 42 A L E - D 0 38A 31 17,-0.5 2,-0.8 -2,-0.3 7,-0.2 -0.689 26.6-131.0 -91.0 145.0 27.2 51.6 18.6 32 43 A D > - 0 0 56 5,-3.1 4,-4.4 -2,-0.3 5,-0.5 -0.871 14.4-153.5 -95.7 110.9 25.8 52.7 21.9 33 44 A E T 4 S+ 0 0 114 -2,-0.8 221,-0.2 1,-0.2 -1,-0.2 0.876 90.4 52.5 -50.8 -46.4 25.8 49.7 24.2 34 45 A A T 4 S+ 0 0 87 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.920 128.4 17.2 -59.5 -46.2 22.9 50.8 26.3 35 46 A T T 4 S- 0 0 55 -3,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.744 90.6-128.7-100.8 -28.4 20.5 51.5 23.4 36 47 A G < + 0 0 2 -4,-4.4 2,-0.2 1,-0.3 -20,-0.2 0.576 66.4 131.2 87.3 8.7 22.0 49.6 20.5 37 48 A K - 0 0 56 -5,-0.5 -5,-3.1 -22,-0.1 2,-0.4 -0.555 62.6-106.4 -93.4 160.8 21.8 52.8 18.4 38 49 A L E +bD 17 31A 0 -22,-2.4 -20,-3.1 -7,-0.2 -19,-0.3 -0.695 46.1 159.4 -88.9 136.7 24.4 54.4 16.3 39 50 A V E - D 0 30A 27 -9,-2.9 -9,-3.3 -2,-0.4 -20,-0.1 -0.856 48.6 -59.1-144.0 176.7 26.1 57.5 17.6 40 51 A V E - D 0 29A 58 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.3 -0.314 59.6-105.0 -63.3 142.0 29.4 59.4 17.0 41 52 A W - 0 0 2 -13,-2.4 -1,-0.1 1,-0.2 8,-0.0 -0.545 26.0-155.5 -68.0 129.4 32.5 57.4 17.6 42 53 A D - 0 0 75 -2,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.581 28.7-125.8 -85.1 -9.4 34.0 58.7 20.9 43 54 A G S S+ 0 0 4 2,-0.2 41,-0.5 40,-0.1 44,-0.1 0.507 77.3 118.0 79.3 4.3 37.5 57.6 20.1 44 55 A Q S S+ 0 0 122 1,-0.2 2,-0.4 39,-0.1 -1,-0.0 0.769 73.4 36.1 -74.7 -28.1 37.9 55.6 23.3 45 56 A K S > S- 0 0 100 42,-0.1 3,-1.3 46,-0.0 4,-0.4 -0.988 74.9-129.8-134.2 134.9 38.4 52.2 21.6 46 57 A A T 3 S+ 0 0 9 -2,-0.4 45,-0.3 1,-0.2 46,-0.1 -0.554 99.6 26.3 -74.2 140.7 40.1 51.1 18.4 47 58 A G T 3 S+ 0 0 27 43,-1.0 -1,-0.2 40,-0.4 44,-0.1 0.456 93.9 102.4 85.7 1.3 37.9 48.9 16.3 48 59 A S < + 0 0 26 -3,-1.3 2,-0.5 -18,-0.1 -17,-0.5 0.769 51.5 92.4 -87.2 -31.1 34.7 50.5 17.8 49 60 A A + 0 0 1 42,-1.3 -19,-0.3 -4,-0.4 46,-0.2 -0.557 49.6 174.9 -67.2 114.3 33.9 52.8 14.8 50 61 A V + 0 0 17 -21,-2.2 252,-0.5 -2,-0.5 2,-0.3 0.332 56.5 2.1-106.9 6.0 31.6 50.6 12.7 51 62 A G E -C 29 0A 0 -22,-0.9 -22,-3.1 250,-0.1 2,-0.5 -0.982 59.8-118.9-177.3 167.3 30.6 53.1 10.0 52 63 A I E -CE 28 67A 0 15,-1.1 15,-2.9 -2,-0.3 17,-0.1 -0.992 38.0-113.0-126.4 125.2 31.0 56.5 8.4 53 64 A L E - E 0 66A 1 -26,-2.2 -27,-3.2 -2,-0.5 13,-0.3 -0.319 23.8-164.7 -57.2 126.4 28.0 58.9 8.1 54 65 A V S S+ 0 0 27 11,-2.8 -1,-0.1 -29,-0.2 12,-0.1 0.975 72.4 21.4 -77.3 -59.7 27.1 59.4 4.5 55 66 A L S S- 0 0 113 10,-0.5 10,-0.2 -30,-0.1 -1,-0.2 -0.799 91.8 -98.0-110.5 152.6 24.8 62.5 4.8 56 67 A P - 0 0 83 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.271 37.3-137.5 -66.6 152.7 24.7 65.1 7.6 57 68 A L B -F 23 0B 13 -34,-3.0 -34,-1.5 1,-0.1 7,-0.0 -0.863 14.2-148.7-116.6 149.3 22.0 64.8 10.3 58 69 A E - 0 0 136 -2,-0.3 -1,-0.1 -36,-0.2 -38,-0.0 0.887 50.0-112.9 -77.6 -41.1 19.8 67.3 12.0 59 70 A G S S+ 0 0 8 -40,-0.1 -2,-0.0 -37,-0.1 0, 0.0 0.392 103.0 78.5 119.0 6.4 19.8 65.3 15.3 60 71 A T + 0 0 123 3,-0.1 2,-0.1 -39,-0.0 -40,-0.1 0.415 62.0 111.9-121.5 -3.5 16.1 64.4 15.1 61 72 A E - 0 0 59 1,-0.1 -42,-0.1 -42,-0.1 3,-0.1 -0.419 54.3-153.8 -71.8 147.8 16.2 61.6 12.6 62 73 A T S S+ 0 0 118 -2,-0.1 -45,-2.8 -46,-0.1 2,-0.3 0.669 81.0 40.6 -92.7 -20.0 15.4 58.1 13.9 63 74 A A E -A 16 0A 52 -47,-0.3 2,-0.3 -45,-0.0 -47,-0.2 -0.868 65.8-171.4-127.0 158.6 17.5 56.5 11.1 64 75 A L E -A 15 0A 7 -49,-2.0 -49,-1.5 -2,-0.3 2,-0.4 -0.950 19.0-126.6-145.2 164.5 20.8 57.2 9.4 65 76 A T E +A 14 0A 49 -2,-0.3 -11,-2.8 -10,-0.2 -10,-0.5 -0.950 31.6 171.8-117.6 132.7 22.8 56.1 6.4 66 77 A Y E -AE 13 53A 7 -53,-3.0 -53,-2.2 -2,-0.4 2,-0.4 -0.966 37.4-105.9-142.1 158.0 26.5 55.0 6.6 67 78 A Y E -AE 12 52A 36 -15,-2.9 -15,-1.1 -2,-0.3 -55,-0.3 -0.674 27.0-175.1 -79.4 128.7 29.3 53.5 4.6 68 79 A K + 0 0 8 -57,-2.5 28,-0.7 -2,-0.4 2,-0.3 0.400 66.6 13.3-105.4 -0.0 29.9 49.9 5.8 69 80 A S E S+g 96 0C 12 -58,-0.9 28,-0.3 27,-0.1 -58,-0.2 -0.956 77.5 85.9-161.0 173.7 33.0 49.2 3.6 70 81 A G E -g 97 0C 0 26,-1.2 28,-0.9 -2,-0.3 2,-0.6 -0.449 68.4 -83.6 114.2 170.4 35.6 50.9 1.5 71 82 A T E -g 98 0C 17 -63,-0.6 28,-0.3 26,-0.2 2,-0.2 -0.958 47.6-164.7-119.5 111.7 38.9 52.6 2.0 72 83 A F E -g 99 0C 0 26,-2.9 28,-2.4 -2,-0.6 2,-0.7 -0.590 25.8-107.5-101.8 160.5 38.7 56.3 3.0 73 84 A A E >> -g 100 0C 0 -70,-1.9 3,-2.7 26,-0.2 4,-0.7 -0.731 25.2-142.2 -83.9 115.5 41.0 59.2 3.1 74 85 A T G >4 S+ 0 0 24 26,-2.2 3,-1.3 -2,-0.7 -1,-0.2 0.854 98.4 59.1 -42.1 -46.9 41.9 60.0 6.7 75 86 A E G 34 S+ 0 0 132 25,-0.3 -1,-0.3 1,-0.2 26,-0.1 0.612 99.1 58.2 -62.9 -14.8 41.9 63.7 6.1 76 87 A A G <4 S+ 0 0 23 -3,-2.7 2,-0.3 -73,-0.1 -1,-0.2 0.654 88.4 88.9 -92.0 -15.2 38.3 63.7 4.9 77 88 A I S << S- 0 0 8 -3,-1.3 2,-1.3 -4,-0.7 -50,-0.2 -0.594 79.1-124.6 -87.2 141.6 36.8 62.2 8.1 78 89 A H - 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